H elimination and metastable lifetimes in the UV photoexcitation of diacetylene

Proceedings of the National Academy of Sciences of the United States of America

Volumn 105, Issue 35, 2008, Pages 12713-12718

  Silva, R ^a   Gichuhi, W K ^a   Huang, C ^a   Doyle, M B ^a   Kislov, V V ^b   Mebel, A M ^b   Suits, A G ^a  

^a WAYNE STATE UNIVERSITY   (United States)

^b FLORIDA INTERNATIONAL UNIVERSITY   (United States)

Author keywords

Ion imaging; Photochemistry; Titan

Indexed keywords

ACETYLENE DERIVATIVE; HYDROGEN;

AB INITIO CALCULATION; ARTICLE; ATMOSPHERE; DOPPLER FLOWMETRY; ENERGY; EXCITATION; IONIZATION; MOLECULAR INTERACTION; PHOTOCHEMISTRY; PRIORITY JOURNAL; STATISTICAL ANALYSIS; ULTRAVIOLET RADIATION; VACUUM;

EID: 51349110640     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0801180105     Document Type: Article

References (48)

1. Wilson EH, Atreya SK (2004) Current state of modeling the photochemistry of Titan's mutually dependent atmosphere and ionosphere. J Geophys Res Planets 109:E06002-1-39.
2. Yung YL, Allen M, Pinto JP (1984) Photochemistry of the atmosphere of Titan: Comparison between model and observations. Astrophys J Suppl S 55:465-506.
3. West RA, Strobel DF, Tomasko MG (1986) Clouds, aerosols, and photochemistry in the Jovian atmosphere. Icarus 65:161-217.
4. Thompson WR, Singh SK, Khare BN, Sagan C (1989) Triton - Stratospheric molecules and organic sediments. Geophys Res Lett 16:981-984.
5. 2H reactions with hydrocarbons and nitriles in the 104-296 K temperature range. J Phys Chem A 108:1746-1752.
6. Vakhtin AB, Heard DE, Smith IWM, Leone SR (2001) Kinetics of reactions of C2H radical with acetylene, O-2, methylacetylene, and allene in a pulsed Laval nozzle apparatus at T = 103 K. Chem Phys Lett 344:317-324.
7. Pedersen JOP, Opansky BJ, Leone SR (1993) Laboratory studies of low-temperature reactions of C2h with C2h2 and implications for atmospheric models of Titan. J Phys Chem 97:6822-6829.
8. Vuitton V, et al. (2003) Intrinsic lifetime of metastable excited C4H2: implications for the photochemistry of C4H2 in Titan's atmosphere. Planet Space Sci 51:847-852.
9. Glicker S, Okabe H (1987) Photochemistry of diacetylene. J Phys Chem 91:437-440.
10. Bandy RE, Lakshminarayan C, Frost RK, Zwier TS (1992) Direct detection of c4h2 photochemical products - Possible routes to complex hydrocarbons in planetary-atmospheres. Science 258:1630-1633.
11. Bandy RE, Lakshminarayan C, Frost RK, Zwier TS (1993) The ultraviolet photochemistry of diacetylene - Direct detection of primary products of the metastable C4H2* + C4H2 reaction. J Chem Phys 98:5362-5374.
12. Zwier TS, Allen M (1996) Metastable diacetylene reactions as routes to large hydrocarbons in Titan's atmosphere. Icarus 123:578-583.
13. Arrington CA, Ramos C, Robinson AD, Zwier TS (1999) Ultraviolet photochemistry of diacetylene with alkynes and alkenes: Spectroscopic characterization of the products. J Phys Chem A 103:1294-1299.
14. Arrington CA, Ramos C, Robinson AD, Zwier TS (1998) Aromatic ring-forming reactions of metastable diacetylene with 1,3-butadiene. J Phys Chem A 102:3315-3322.
15. Frost RK, Arrington CA, Ramos C, Zwier TS (1996) Ultraviolet photochemistry of diacetylene: The metastable C4H2* reaction with ethene, propene, and propyne. J Am Chem Soc 118:4451-4461.
16. 2 reaction in helium and nitrogen. J Phys Chem 99:9408-9415.
17. Robinson AG, Winter PR, Zwier TS (2002) The ultraviolet photochemistry of diacetylene with styrene. J Phys Chem A 106:5789-5796.
18. Robinson AG, Winter PR, Ramos C, Zwier TS (2000) Ultraviolet photochemistry of diacetylene: Reactions with benzene and toluene. J Phys Chem A 104:10312-10320.
19. Hebrard E, Dobrijevic M, Benilan Y, Raulin F (2006) Photochemical kinetics uncertainties in modeling Titan's atmosphere: A review. J Photochem Photobiol C Photochem Rev 7:211-230.
20. Stearns JA, Zwier TS, Kraka E, Cremer D (2006) Experimental and computational study of the ultraviolet photolysis of vinylacetylene. Part II. Phys Chem Chem Phys 8:5317-5327.
21. 2(X (1)Sigma(+)(g)): Dynamics of d1-diacetylene (HCCCCD) and dlbutadiynyl (DCCCC) formation. Phys Chem Chem Phys 4:2950-2958.
22. Vila F, Borowski P, Jordan KD (2000) Theoretical study of the low-lying electronically excited states of diacetylene. J Phys Chem A 104:9009-9016.
23. Feltham EJ, et al. (2003) Ketene photodissociation in the wavelength range 193-215 nm: The H atom production channel. J Chem Phys 119:6017-6031.
24. 2. J Phys Chem 96:5337-5343.
25. Dietz TG, Duncan MA, Smalley RE (1982) Time evolution studies of triplet toluene by 2-color photo-ionization. J Chem Phys 76:1227-1232.
26. Duncan MA, Dietz TG, Liverman MG, Smalley RE (1981) Photo-ionization measurement of the triplet lifetime of benzene. J Phys Chem 85:7-9.
27. Lias, S. G (2005) Ionization Energy Evaluation, eds Linstrom PJ, Mallard WG (National Institute of Standards and Technology, Gaithersburg, MD).
28. Lebonnois S, Toublanc D, Hourdin F, Rannou P (2001) Seasonal variations of Titan's atmospheric composition. Icarus 152:384-406.
29. Hemminger JC, Wicke BG, Klemperer W (1976) Delocalization of electronic energy in the lowest triplet states of molecules. J Chem Phys 65:2798.
30. Lisy JM, Klemperer W (1980) Electric deflection studies of metastable acetylene. J Chem Phys 72:3880-3883.
31. u)) state. J Chem Phys 106:5292-5295.
32. 4 (allene and methylacetylene). J Chem Phys 125:133113.
33. 2(X-1 Sigma(+) (g)) reactions. Chem Phys Lett 382, 112-119.
34. Allan M (1984) The excited-states of 1,3-butadiyne determined by electron-energy loss spectroscopy. J Chem Phys 80:6020-6024.
35. Townsend D, Minitti MP, Suits AG (2003) Direct current slice imaging. Rev Sci Instrum 74:2530-2539.
36. Townsend D, Lee SK, Suits AG (2004) Orbital polarization from DC slice imaging: S(D-1(2)) alignment in the photodissociation of ethylene sulfide. Chem Phys 301:197-208.
37. Huang CS, Lahankar SA, Kim MH, Zhang BL, Suits AG (2006) Doppler-free/Doppler-sliced ion imaging. Phys Chem Chem Phys 8:4652-4654.
38. Huang CS, Li W, Kim MH, Suits AG (2006) Two-color reduced-Doppler ion imaging. J Chem Phys 125:121101.
39. Lee CT, Yang WT, Parr RG (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density. Phys Rev B 37:785-789.
40. Becke AD (1993) Density-functional thermochemistry. 3. The role of exact exchange. J Chem Phys 98:5648-5652.
41. Pople JA, Headgordon M, Raghavachari K (1987) Quadratic configuration-interaction - A general technique for determining electron correlation energies. J Chem Phys 87:5968-5975.
42. Frisch MJ, et al. (1998) Gaussian 98 (Gaussian, Inc., Wallingford, CT), Revision A. 9.
43. Werner HJ, Knowles PJ (2003) MOLPRO (University of Birmingham, Birmingham, United Kingdom).
44. Dunning TH (1989) Gaussian-Basis sets for use in correlated molecular calculations. 1. The atoms boron through neon and hydrogen. J Chem Phys 90:1007-1023.
45. 2. J Phys Chem 99:3898-3901.
46. Eyring H, Lin SH, Lin SM (1980) Basic Chemical Kinetics (Wiley, New York).
47. Kislov VV, Nguyen TL, Mebel AM, Lin SH, Smith SC (2004) Photodissociation of benzene under collision-free conditions: An ab initio/Rice-Ramsperger- Kassel-Marcus study. J Chem Phys 120:7008-7017.
48. Steinfeld JI, Francisco JS, Hase WL (1999) Chemical Kinetics Dynamics (Prentice-Hall, Upper Saddle River, NJ), 2nd Ed.